2-(ethylamino)-N-(propan-2-yl)acetamide hydrochloride

• ChemBase ID: 233704
• Molecular Formular: C7H17ClN2O
• Molecular Mass: 180.67568
• Monoisotopic Mass: 180.10294085
• SMILES: C(=O)(NC(C)C)CNCC.Cl
• Canonical SMILES: CCNCC(=O)NC(C)C.Cl
• InChI: InChI=1S/C7H16N2O.ClH/c1-4-8-5-7(10)9-6(2)3;/h6,8H,4-5H2,1-3H3,(H,9,10);1H
• InChIKey: LUUQURSMTHOCMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(ethylamino)-N-(propan-2-yl)acetamide hydrochloride
• IUPAC Traditional name: 2-(ethylamino)-N-isopropylacetamide hydrochloride
• Synonyms: 2-(ethylamino)-N-isopropylacetamide hydrochloride

Database IDs

• MDL Number: MFCD08445321
• PubChem SID: 164289614
• PubChem CID: 43810412

CALCULATED PROPERTIES

• Acid pKa: 16.120611
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.1757455
• LogD (pH = 7.4): -1.6616426
• Log P: -0.16797078
• Molar Refractivity: 41.4129 cm^3
• Polarizability: 16.35698 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.103

Product Information

• Purity: 95%
• Salt Data: HCl